2-(Hydroxymethyl)-1H-benzimidazole

C₈H₈N₂OCAS 4856-97-7148.16 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.16 g/mol
Exact mass: 148.0637 Da
Melting point: 170.5–171.5 °C
logP: 1.06Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed93.2% of notifiers
H312 Harmful in contact with skin93.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled93.2% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4856-97-7

SMILES

OCc1nc2ccccc2[nH]1

InChIKey

IAJLTMBBAVVMQO-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1H-Benzimidazole-2-methanol
2-Benzimidazolemethanol
2-(Hydroxymethyl)benzimidazole
NSC 18284
1H-Benzimidazol-2-ylmethanol
1H-1,3-Benzodiazol-2-ylmethanol
(1H-1,3-Benzodiazol-2-yl)methanol
(1H-Benzo[d]imidazol-2-yl)methanol

Work with 2-(Hydroxymethyl)-1H-benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Benzimidazole-2-propanol2403-66-963 % similar 2-Ethylbenzimidazole1848-84-660 % similar 2-Chloromethylbenzimidazole4857-04-960 % similar Dibazole621-72-758 % similar 1H-Benzimidazole-2-acetonitrile4414-88-456 % similar 2-Propyl-1H-benzimidazole5465-29-256 % similar 2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole540516-28-756 % similar 2-Benzimidazolinone615-16-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 7-Methoxy-6-azaindole160590-40-9 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 2-Amino-5-methoxybenzonitrile23842-82-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook